Simulation Based Engineering focuses on developing and applying advanced computational tools at multiple scales, including (1) the atomistic scale to predict the behavior of materials in extreme and high-temperature environments, (2) the device scale to simulate complex multiphase flow reactors, (3) the process scale to optimize the design and dynamic operations of integrated fossil-energy technologies, and (4) the grid and market scale to assess how new technologies and policies would affect the grid and energy markets. The effort combines theory, computational modeling, advanced optimization, experiments, and industrial input. Physics- and chemistry-based computational models and tools are needed to accelerate development and deployment of advanced fossil-fuel energy technologies such as chemical looping, supercritical CO2 and carbon capture systems.

Hierarchy of Models that Exchange Information with the Help of ROMs

Many advanced energy technologies and processes rely on phenomena that confound the ability of experimental scientists, as the key elements are not observable or measurements are impractical. Simulation Based Engineering provides models that helps to quantify the uncertainty involved in scale-up of the technology to the next level, resulting in virtual prototyping and accelerated technology deployment. Simulation Based Engineering develops and applies new, advanced, multi-scale computational tools to enable more effective development of new processes and materials for existing and new fossil energy conversion systems and components.